Simulations of Dense Atomic Hydrogen in the Wigner Crystal Phase

TL;DR

This paper uses path integral Monte Carlo simulations to investigate the properties and melting behavior of dense atomic hydrogen in the Wigner crystal phase, considering electron screening effects.

Contribution

It introduces a numerical method for deriving the action of paths in Yukawa potential systems and analyzes anharmonic effects in proton vibrations.

Findings

Melting analyzed at rs=200 using Lindemann ratio and structure factor

Anharmonic effects significantly influence crystal vibrations

Proton-proton interactions modeled with Thomas-Fermi screened Yukawa potential

Abstract

Path integral Monte Carlo simulations are applied to study dense atomic hydrogen in the regime where the protons form a Wigner crystal. The interaction of the protons with the degenerate electron gas is modeled by Thomas-Fermi screening, which leads to a Yukawa potential for the proton-proton interaction. A numerical technique for the derivation of the corresponding action of the paths is described. For a fixed density of rs=200, the melting is analyzed using the Lindemann ratio, the structure factor and free energy calculations. Anharmonic effects in the crystal vibrations are analyzed.